About 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione
1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 161387515) has the molecular formula C159H114F18N10O41S
and a molecular weight of 3194.72 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione.
Frequently Asked Questions
What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione (CID 161387515) is 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione is Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)OC(F)(F)O3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)O2)c1cncnc1.O=C(CCC(=O)c1ccc2c(c1)OCO2)c1ccnnc1.O=C(CCC(=O)c1cccnn1)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1ccco1)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1ccncn1)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is VSNVXDIZXNFJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H14F2O4.4C15H10F2N2O4.C15H10F2O5.C15H10F2O4S.C15H12N2O4/c1-11-2-4-12(5-3-11)14(21)7-8-15(22)13-6-9-16-17(10-13)24-18(19,20)23-16;1-11-3-2-4-12(9-11)14(21)6-7-15(22)13-5-8-16-17(10-13)24-18(19,20)23-16;1-11-4-2-3-5-13(11)15(22)8-7-14(21)12-6-9-16-17(10-12)24-18(19,20)23-16;16-15(17)22-12-5-2-9(8-13(12)23-15)10(20)3-4-11(21)14-18-6-1-7-19-14;16-15(17)22-13-4-1-9(5-14(13)23-15)11(20)2-3-12(21)10-6-18-8-19-7-10;16-15(17)22-13-4-1-9(7-14(13)23-15)11(20)2-3-12(21)10-5-6-18-8-19-10;16-15(17)22-13-6-3-9(8-14(13)23-15)11(20)4-5-12(21)10-2-1-7-18-19-10;16-15(17)21-13-6-3-9(8-14(13)22-15)10(18)4-5-11(19)12-2-1-7-20-12;16-15(17)20-12-6-3-9(8-13(12)21-15)10(18)4-5-11(19)14-2-1-7-22-14;18-12(2-3-13(19)11-5-6-16-17-8-11)10-1-4-14-15(7-10)21-9-20-14/h2-6,9-10H,7-8H2,1H3;2-5,8-10H,6-7H2,1H3;2-6,9-10H,7-8H2,1H3;1-2,5-8H,3-4H2;2*1,4-8H,2-3H2;1-3,6-8H,4-5H2;2*1-3,6-8H,4-5H2;1,4-8H,2-3,9H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 3194.72 g/mol, XLogP of 32.48, 50 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 161387515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).